| SpectraBase Compound ID | BePoUAbxGh |
|---|---|
| InChI | InChI=1S/C65H89NO16SSi2/c1-16-84(17-2,18-3)81-47-36-65(73)60(79-61(72)40-25-23-22-24-26-40)58-63(11,59(71)57(54(38(47)7)62(65,9)10)82-85(19-4,20-5)21-6)49(35-50-64(58,37-77-50)80-39(8)67)78-52(70)32-31-51(69)66-44-29-27-41-33-46(74-12)55(75-13)56(76-14)53(41)42-28-30-48(83-15)45(68)34-43(42)44/h22-26,28,30,33-34,44,47,49-50,57-58,60,73H,16-21,27,29,31-32,35-37H2,1-15H3,(H,66,69)/t44-,47-,49-,50+,57+,58-,60-,63+,64-,65+/m0/s1 |
| InChIKey | KMMOOLMSDHGILS-AOQDQNMUSA-N |
| Mol Weight | 1228.6 g/mol |
| Molecular Formula | C65H89NO16SSi2 |
| Exact Mass | 1227.54406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ApqIsEXBPED |
|---|---|
| Name | 10-DEACETYL-7-O-(N-DEACETYL-N-SUCCINYLTHIOCOLCHICINYL)-10,13-O-BIS-(TRIETHYLSILYL)-BACCATIN-III |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H89NO16SSi2 |
| InChI | InChI=1S/C65H89NO16SSi2/c1-16-84(17-2,18-3)81-47-36-65(73)60(79-61(72)40-25-23-22-24-26-40)58-63(11,59(71)57(54(38(47)7)62(65,9)10)82-85(19-4,20-5)21-6)49(35-50-64(58,37-77-50)80-39(8)67)78-52(70)32-31-51(69)66-44-29-27-41-33-46(74-12)55(75-13)56(76-14)53(41)42-28-30-48(83-15)45(68)34-43(42)44/h22-26,28,30,33-34,44,47,49-50,57-58,60,73H,16-21,27,29,31-32,35-37H2,1-15H3,(H,66,69)/t44-,47-,49-,50+,57+,58-,60-,63+,64-,65+/m0/s1 |
| InChIKey | KMMOOLMSDHGILS-AOQDQNMUSA-N |
| Literature Reference Author | B.DANIELI,A.GIARDINI,G.LESMA,D.PASSARELLA,A.SILVANI,G.APPEND INO,A.NONCOVICH,G.F |
| Literature Reference Citation | CHEM.BIODIV.,1,327(2004) |
| Literature Reference DOI | 10.1002/cbdv.200490029 |
| Molecular Weight | 1228.650 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21616 |